5KAO
Crystal structure of wild type HIV-1 protease in complex with GRL-10413
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2014-11-14 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.650, 57.675, 61.558 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.371 - 1.800 |
| R-factor | 0.1856 |
| Rwork | 0.184 |
| R-free | 0.22090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hla |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.203 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP (10.2.35) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.710 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.093 | 0.331 |
| Number of reflections | 18748 | |
| <I/σ(I)> | 8.2 | 1.795 |
| Completeness [%] | 89.4 | 75.6 |
| Redundancy | 2.1 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 0.1 M citric acid buffer at pH 5.0 with ammonium sulfate as precipitant |
